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17347-61-4 | 2,5-Furandione, dihydro-3,3-dimethyl-
CAS No: 17347-61-4 Catalog No: AG001YYB MDL No:MFCD00022608
Product Description
Catalog Number:
AG001YYB
Chemical Name:
2,5-Furandione, dihydro-3,3-dimethyl-
CAS Number:
17347-61-4
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD00022608
IUPAC Name:
3,3-dimethyloxolane-2,5-dione
InChI:
InChI=1S/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3
InChI Key:
ACJPFLIEHGFXGP-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C1)(C)C
EC Number:
241-371-0
UNII:
TL903A7H7V
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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